Inonotusol D (CHEBI:218489)

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CHEBI:218489 - Inonotusol D

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ChEBI ID	CHEBI:218489
ChEBI Name	Inonotusol D
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C30H48O5
Net Charge	0
Average Mass	488.709
Monoisotopic Mass	488.35017
SMILES	CC(C)(O)[C@@H]1CC[C@H]([C@@H]2CC[C@@]3(C)C4=CC[C@H]5[C@](C)(CO)[C@@H](O)C[C@H](O)[C@]5(C)C4=CC[C@]23C)[C@@H]1O
InChI	InChI=1S/C30H48O5/c1-26(2,35)21-8-7-17(25(21)34)18-11-13-29(5)19-9-10-22-27(3,16-31)23(32)15-24(33)30(22,6)20(19)12-14-28(18,29)4/h9,12,17-18,21-25,31-35H,7-8,10-11,13-16H2,1-6H3/t17-,18+,21-,22+,23+,24+,25+,27+,28-,29+,30-/m1/s1
InChIKey	BUJWEABYUGXDHV-BRGCKXBGSA-N

Species of Metabolite	Component	Source	Comments
Inonotus obliquus (ncbitaxon:167356)	-	PubMed (24359303)

ChEBI Ontology

Outgoing Relation(s)
	Inonotusol D (CHEBI:218489) is a triterpenoid (CHEBI:36615)

IUPAC Name
(1S,3S,4R,5R,10S,13R,14R,17S)-17-[(1R,2S,3R)-2-hydroxy-3-(2-hydroxypropan-2-yl)cyclopentyl]-4-(hydroxymethyl)-4,10,13,14-tetramethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-1,3-diol

Manual Xrefs	Databases
78441169	ChemSpider